Geometry & MOs

Info

ID:	260748
PubChem CID:	103202716
Reduced:	FN3C15H16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	234.148061
ΔH_f, kcal/mol:	27.18
Dipole, Da:	4.36
IP(EA), eV:	-9.2(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyano-1-methylpyrrol-3-yl)methylamino]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CN1C=C(C=C1C#N)CNCCC2=CC(=CC=C2)F

DOS

IR

Vibrations